Computer aided drug design using virtual screening and molecular energy calculation of a specific neurodegenerative diseases

  • Authors

    • Bipin Nair B J
    • Akshay Rajendran
    2018-03-01
    https://doi.org/10.14419/ijet.v7i1.9.9751
  • Computer Aided Drug Design, Neurodegenerative Diseases, Virtual Screening, Molecular Energy Calculation.

  • Abstract

    Computer-aided drug design (CADD) is designing a drug with the help of computational algorithms. Information technology advances to creates the structure of molecules, molecular modeling and calculate the binding energies of the drug to initiate a new medicine against neurodegenerative diseases. In our work, we implemented virtual screening of a drug-protein interaction is selected from drug data bank with potential drug bank inhibitory activity for a specific neurodegenerative disease. Here we analyze technical CADD studies of the neurodegenerative diseases. Finally selecting the best alkaloid for a specific neurodegenerative disease and predicting the efficiency using computation of alkaloid with molecular energy.

  • References

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  • How to Cite

    Nair B J, B., & Rajendran, A. (2018). Computer aided drug design using virtual screening and molecular energy calculation of a specific neurodegenerative diseases. International Journal of Engineering & Technology, 7(1.9), 141-144. https://doi.org/10.14419/ijet.v7i1.9.9751

    Received date: 2018-02-26

    Accepted date: 2018-02-26

    Published date: 2018-03-01